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| CAS No.: | 39998-81-7 |
|---|---|
| Name: | 2-Fluoro-4-iodotoluene |
| Molecular Structure: | |
|
|
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| Formula: | C7H6FI |
| Molecular Weight: | 236.028 |
| Synonyms: | 2-Fluoro-4-iodo-1-methylbenzene;2-Fluoro-4-iodotoluene;4-Iodo-2-fluorotoluene;2-Fluor-4-iod-1-methylbenzol; |
| EINECS: | 254-740-6 |
| Density: | 1.788 g/cm3 |
| Melting Point: | 22 °C |
| Boiling Point: | 202.4 °C at 760 mmHg |
| Flash Point: | 79.4 °C |
| Solubility: | insoluble in water |
| Appearance: | colorless to light yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 2.73870 |
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Specification
The Benzene,2-fluoro-4-iodo-1-methyl-, with the CAS registry number 39998-81-7, is also known as 2-Fluoro-4-iodotoluene. It belongs to the product categories of Fluoro-contained Iodo series; Halogen toluene; Fluorine Compounds; Iodine Compounds; Aryl; C7; Halogenated Hydrocarbons. Its EINECS number is 254-740-6. This chemical's molecular formula is C7H6FI and formula weight is 236.0254. What's more, its IUPAC name is 2-fluoro-4-iodo-1-methylbenzene.
Physical properties of Benzene,2-fluoro-4-iodo-1-methyl- are: (1)ACD/LogP: 3.77; (2)ACD/LogD (pH 5.5): 3.77; (3)ACD/BCF (pH 5.5): 430.05; (4)ACD/KOC (pH 5.5): 2671.03; (5)Index of Refraction: 1.58; (6)Molar Refractivity: 43.97 cm3; (7)Molar Volume: 131.9 cm3; (8)Surface Tension: 37.9 dyne/cm; (9)Density: 1.788 g/cm3; (10)Flash Point: 79.4 °C; (11)Enthalpy of Vaporization: 42.07 kJ/mol; (12)Boiling Point: 202.4 °C at 760 mmHg; (13)Vapour Pressure: 0.416 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)I)F
(2)InChI: InChI=1S/C7H6FI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
(3)InChIKey: QZLWTFTXGKKCHZ-UHFFFAOYSA-N